4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one

C15H15N5O2 — CID 154079085

IUPAC4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
SMILESCN(C)c1ccc(Nc2nc(=O)n(O)c3ncccc23)cc1
InChIInChI=1S/C15H15N5O2/c1-19(2)11-7-5-10(6-8-11)17-13-12-4-3-9-16-14(12)20(22)15(21)18-13/h3-9,22H,1-2H3,(H,17,18,21)
InChIKeySLUAFJROJPDPMU-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.84
Rot. Bonds3

About 4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one

4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one (PubChem CID 154079085) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
PubChem CID154079085
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
SMILESCN(C)c1ccc(Nc2nc(=O)n(O)c3ncccc23)cc1
InChIInChI=1S/C15H15N5O2/c1-19(2)11-7-5-10(6-8-11)17-13-12-4-3-9-16-14(12)20(22)15(21)18-13/h3-9,22H,1-2H3,(H,17,18,21)
InChIKeySLUAFJROJPDPMU-UHFFFAOYSA-N
XLogP1.84
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-4-[4-[4-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one
CID 154326729
1-hydroxy-4-(4-thiophen-2-ylanilino)pyrido[2,3-d]pyrimidin-2-one
CID 91664430
4-[4-(furan-2-yl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
CID 91664428
4-[2-(aminomethyl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
CID 154079084
4-[3-[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]-N-methylbenzamide
CID 53258699
1-hydroxy-4-[3-[3-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one
CID 154366196
1-hydroxy-4-(3-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one
CID 67252249
1-hydroxy-4-[3-(5-methoxy-3-pyridinyl)anilino]pyrido[2,3-d]pyrimidin-2-one
CID 154344900
1-hydroxy-4-[3-(2-methyl-3,4-dihydro-2H-azepin-6-yl)anilino]pyrido[2,3-d]pyrimidin-2-one
CID 123359644
1-hydroxy-4-(thiophen-2-ylmethylamino)pyrido[2,3-d]pyrimidin-2-one;hydrobromide
CID 53257879
4-[benzyl(methyl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
CID 53258701
6-[4-(dimethylamino)anilino]quinoline-5,8-diol
CID 135453963

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one (CID 154079085) is 4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one is CN(C)c1ccc(Nc2nc(=O)n(O)c3ncccc23)cc1.
What is the InChIKey of 4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
The InChIKey is SLUAFJROJPDPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-19(2)11-7-5-10(6-8-11)17-13-12-4-3-9-16-14(12)20(22)15(21)18-13/h3-9,22H,1-2H3,(H,17,18,21).
What are the key properties of 4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one has a molecular weight of 297.32 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 154079085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).